SCHEMBL6584399

SCHEMBL6584399

CC(C)c1cc(OCc2ccccc2)ccc1B(O)O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.53
▸ LIPE Q05469 1/20 0.50
▸ HRH3 Q9Y5N1 3/20 0.48
▸ LMNA P02545 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ GLRA1 P23415 1/20 0.47
▸ MAOB P27338 5/20 0.47
▸ CYP4F2 P78329 1/20 0.44
▸ CYP4A11 Q02928 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27010416 0.83 ALOX5 (0.61) ALOX5HRH3LMNACYP1A2PTGS1
SCHEMBL17615827 0.82 ALOX5 (0.56) ALOX5HRH3LMNACYP1A2PTGS1
SCHEMBL11974257 0.80 MAOB (0.57) ALOX5HRH3LMNACYP1A2PTGS1
SCHEMBL29953350 0.80 LIPE (0.68) ALOX5LIPEHRH3LMNACYP1A2
SCHEMBL539890 0.80 LIPE (0.54) ALOX5LIPEHRH3LMNACYP1A2
SCHEMBL17833746 0.80 ALOX5 (0.57) ALOX5HRH3LMNACYP1A2PTGS1
SCHEMBL5433420 0.80 LIPE (0.68) ALOX5LIPEHRH3LMNACYP1A2
SCHEMBL29950569 0.80 LIPE (0.54) ALOX5LIPEHRH3LMNACYP1A2
SCHEMBL29954101 0.79 LIPE (0.53) ALOX5LIPEHRH3LMNACYP1A2
SCHEMBL1805526 0.79 ALOX5 (0.56) ALOX5HRH3LMNACYP1A2PTGS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0958282-B1 2-AMINO-6-(2-SUBSTITUTED-4-PHENOXY)-SUBSTITUTED-PYRIDINES PFIZER PROD INC (US) 2004-07-21 — — EP disclosed
US-20030162765-A1 Use in treatment and prevention of central nervous system and other disorders PFIZER INC. 2003-08-28 — — US disclosed
US-20010007873-A1 Compounds such as 4-(6-amino-pyridin-2-yl)-3-methoxyphenol as nitric oxide synthase inhibitors used to treat central nervous system disorders, inflammatory disorders, septic shock, etc... PFIZER INC. 2001-07-12 — — US disclosed
EP-0958282-A1 2-AMINO-6-(2-SUBSTITUTED-4-PHENOXY)-SUBSTITUTED-PYRIDINES Pfizer Products Inc. (US) 1999-11-24 — — EP disclosed
WO-1998034919-A1 2-AMINO-6-(2-SUBSTITUTED-4-PHENOXY)-SUBSTITUTED-PYRIDINES PFIZER PRODUCTS INC. (US) 1998-08-13 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20010007873-A1 Compounds such as 4-(6-amino-pyridin-2-yl)-3-methoxyphenol as nitric oxide synthase inhibitors used to treat central nervous system disorders, inflammatory disorders, septic shock, etc... NOS1, PTGS1, NOS2 ALOX5 310/4885LIPE 3954/4885HRH3 1109/4885
US-20030162765-A1 Use in treatment and prevention of central nervous system and other disorders GRIN2C, GRIN2A, CNR2 ALOX5 1489/4885LIPE 2270/4885HRH3 664/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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